4-(azocan-1-ium-1-ylmethyl)-2-methyl-aniline

Systemtic Name: 4-(azocan-1-ium-1-ylmethyl)-2-methyl-aniline Openeye Name: 4-(azocan-1-ium-1-ylmethyl)-2-methyl-aniline CAS Name: 4-(1-azocan-1-iumylmethyl)-2-methylaniline IUPAC Name: 4-(azocan-1-ium-1-ylmethyl)-2-methylaniline Traditional Name: [4-(azocan-1-ium-1-ylmethyl)-2-methyl-phenyl]amine Formula: C15H25N2+ MolecularWeight: 233.3724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C[NH+]2CCCCCCC2)N

Isomeric SMILES

CC1=C(C=CC(=C1)C[NH+]2CCCCCCC2)N

InChI

InChI=1S/C15H24N2/c1-13-11-14(7-8-15(13)16)12-17-9-5-3-2-4-6-10-17/h7-8,11H,2-6,9-10,12,16H2,1H3/p+1